Materials Data on SmGdCo17 by Materials Project

Abstract

GdSmCo17 crystallizes in the trigonal R3m space group. The structure is three-dimensional. Gd is bonded in a 10-coordinate geometry to nineteen Co atoms. There are a spread of Gd–Co bond distances ranging from 2.99–3.23 Å. Sm is bonded in a 10-coordinate geometry to nineteen Co atoms. There are a spread of Sm–Co bond distances ranging from 2.99–3.24 Å. There are six inequivalent Co sites. In the first Co site, Co is bonded to one Gd, one Sm, and ten Co atoms to form a mixture of distorted face, edge, and corner-sharing CoSmGdCo10 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.37–2.67 Å. In the second Co site, Co is bonded to one Gd, two equivalent Sm, and nine Co atoms to form a mixture of face, edge, and corner-sharing CoSm2GdCo9 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.41–2.60 Å. In the third Co site, Co is bonded to two equivalent Gd, one Sm, and nine Co atoms to form a mixture of face, edge, and corner-sharing CoSmGd2Co9 cuboctahedra. There are two shorter (2.40 Å) and one longer (2.59 Å) Co–Co bond lengths. In the fourth Co site, Co is bonded to one Gd, one Sm, and ten Co atoms to form CoSmGdCo10 cuboctahedra that share corners with twenty-two CoSmGdCo10 cuboctahedra, edges with ten CoSm2GdCo9 cuboctahedra, and faces with eighteen CoSmGdCo10 cuboctahedra. There are one shorter (2.56 Å) and one longer (2.57 Å) Co–Co bond lengths. In the fifth Co site, Co is bonded in a 2-coordinate geometry to one Gd and thirteen Co atoms. The Co–Co bond length is 2.33 Å. In the sixth Co site, Co is bonded in a 2-coordinate geometry to one Sm and thirteen Co atoms.